| SpectraBase Compound ID | BzZPrXjATKU |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-4-5-6-7-9(8(2)3)10(11)12/h8-9H,6-7H2,1-3H3,(H,11,12) |
| InChIKey | TYNWNUMYOYIZCL-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5AygvVC6aSm |
|---|---|
| Name | 2-Isopropylhept-5-ynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-4-5-6-7-9(8(2)3)10(11)12/h8-9H,6-7H2,1-3H3,(H,11,12) |
| InChIKey | TYNWNUMYOYIZCL-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(C(C(C)C)CCC#CC)(=O)O |